Geometry & MOs

Info

ID:	56539
PubChem CID:	17436174
Reduced:	OSN3H21C24 (1)
Stoich.:	ABC3D21E24 (1)
Weight, g/mol:	362.061966
ΔH_f, kcal/mol:	78.91
Dipole, Da:	4.55
IP(EA), eV:	-8.66(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=NN=C2SC(C3=CC=CC=C3)C(=O)C4=CC=CC=C4)C

DOS

IR

Vibrations